Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033110
PROPERTIES
| NPAID | NPA033110 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Heinamide A2 |
| FORMULA | C60H87N11O15 |
| MOLECULAR WEIGHT (Da) | 1202.4180 |
| ACCURATE MASS (Da) | 1201.6383 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nostoc |
| ORIGIN SPECIES | sp. UHCC 0702 |
| InChIKey | HYJDKTCLVOVFBX-AJKNKOHSSA-N |
| InChI | InChI=1S/C60H87N11O15/c1-7-10-12-18-38-28-49(76)63-45(32-72)54(80)64-41(9-3)59(85)70-24-15-19-47(70)57(83)68-46(33-73)55(81)66-43(26-37-20-22-39(74)23-21-37)52(78)65-42(25-34(4)5)53(79)69-51(35(6)8-2)58(84)67-44(27-36-16-13-11-14-17-36)60(86)71-31-40(75)29-48(71)56(82)61-30-50(77)62-38/h9,11,13-14,16-17,20-23,34-35,38,40,42-48,51,72-75H,7-8,10,12,15,18-19,24-33H2,1-6H3,(H,61,82)(H,62,77)(H,63,76)(H,64,80)(H,65,78)(H,66,81)(H,67,84)(H,68,83)(H,69,79)/b41-9+/t35-,38+,40+,42+,43+,44+,45-,46-,47-,48-,51-/m0/s1 |
| SMILES | C/C=C1/NC(=O)[C@H](CO)NC(=O)C[C@@H](CCCCC)NC(=O)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Heinilä, Lassi Matti Petteri; Fewer, David Peter; Jokela, Jouni Kalevi; Wahlsten, Matti; Ouyang, Xiaodan; Permi, Perttu; Jortikka, Anna; Sivonen, Kaarina The structure and biosynthesis of heinamides A1-A3 and B1-B5, antifungal members of the laxaphycin lipopeptide family Organic & Biomolecular Chemistry 2021 19 (25) 5577-5588. | ||
|---|---|---|---|
| DOI | 10.1039/d1ob00772f | PMID | 34085692 |
